IBS-ZINC05452096 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 0 0 0 0 0 0999 V2000 0.0780 1.3550 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.3300 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -0.3360 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 0.0270 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 1.0630 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 1.7190 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -0.6800 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 0.0110 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -0.5760 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1570 0.6430 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 1.8320 -0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 1.4740 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 2.3820 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 3.6960 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 4.4990 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 4.1500 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 3.1720 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 3.5580 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 4.9000 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3150 5.8660 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 5.5010 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 1.8750 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.0520 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -1.1350 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 1.3480 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 2.5190 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -1.7500 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.1790 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -1.1740 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 0.6340 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 0.6390 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 2.8130 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3370 5.2010 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 6.9130 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 6.2550 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END